13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

C138H86N8O2 — CID 146263296

About 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine

13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (PubChem CID 146263296) has the molecular formula C138H86N8O2 and a molecular weight of 1888.26 g/mol. Its IUPAC name is 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

Molecular Properties

• Compound Name: 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• PubChem CID: 146263296
• Molecular Formula: C138H86N8O2
• Molecular Weight: 1888.26 g/mol
• Exact Mass: 1886.69
• IUPAC Name: 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4cccc(-c5ccc7c(c5)oc5cc(N(c8ccccc8)c8ccc9c%10cc%11c(cc%10n%10c%12ccccc%12c8c9%10)c8ccc(N(c9ccccc9)c9ccc%10c(c9)oc9ccccc9%10)c9c%10ccccc%10n%11c89)ccc57)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5ccccc5n6c34)cc21
• InChI: InChI=1S/C138H86N8O2/c1-137(2)109-44-21-14-37-89(109)91-57-52-85(71-111(91)137)139(81-30-8-5-9-31-81)117-65-61-97-105-77-124-108(78-121(105)143-113-46-23-16-40-101(113)129(117)133(97)143)100-64-68-120(132-104-43-19-26-49-116(104)146(124)136(100)132)142(86-53-58-92-90-38-15-22-45-110(90)138(3,4)112(92)72-86)84-36-28-29-79(69-84)80-51-56-94-96-60-55-88(74-128(96)148-126(94)70-80)141(83-34-12-7-13-35-83)119-67-63-99-107-76-122-106(75-123(107)145-115-48-25-18-42-103(115)131(119)135(99)145)98-62-66-118(130-102-41-17-24-47-114(102)144(122)134(98)130)140(82-32-10-6-11-33-82)87-54-59-95-93-39-20-27-50-125(93)147-127(95)73-87/h5-78H,1-4H3
• InChIKey: LCQPEAMJDCXWKT-UHFFFAOYSA-N
• XLogP: 38.24
• TPSA: 56.88 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1888.26
LogP ≤ 5	38.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The IUPAC name of 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine (CID 146263296) is 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine.

What is the SMILES notation for 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The canonical SMILES for 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5cc6c(cc5n5c7ccccc7c3c45)c3ccc(N(c4cccc(-c5ccc7c(c5)oc5cc(N(c8ccccc8)c8ccc9c%10cc%11c(cc%10n%10c%12ccccc%12c8c9%10)c8ccc(N(c9ccccc9)c9ccc%10c(c9)oc9ccccc9%10)c9c%10ccccc%10n%11c89)ccc57)c4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5ccccc5n6c34)cc21.

What is the InChIKey of 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

The InChIKey is LCQPEAMJDCXWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H86N8O2/c1-137(2)109-44-21-14-37-89(109)91-57-52-85(71-111(91)137)139(81-30-8-5-9-31-81)117-65-61-97-105-77-124-108(78-121(105)143-113-46-23-16-40-101(113)129(117)133(97)143)100-64-68-120(132-104-43-19-26-49-116(104)146(124)136(100)132)142(86-53-58-92-90-38-15-22-45-110(90)138(3,4)112(92)72-86)84-36-28-29-79(69-84)80-51-56-94-96-60-55-88(74-128(96)148-126(94)70-80)141(83-34-12-7-13-35-83)119-67-63-99-107-76-122-106(75-123(107)145-115-48-25-18-42-103(115)131(119)135(99)145)98-62-66-118(130-102-41-17-24-47-114(102)144(122)134(98)130)140(82-32-10-6-11-33-82)87-54-59-95-93-39-20-27-50-125(93)147-127(95)73-87/h5-78H,1-4H3.

What are the key properties of 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine?

13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine has a molecular weight of 1888.26 g/mol, XLogP of 38.24, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 13-N-[3-[7-(N-[28-(N-dibenzofuran-3-ylanilino)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaen-13-yl]anilino)dibenzofuran-3-yl]phenyl]-13-N,28-N-bis(9,9-dimethylfluoren-2-yl)-28-N-phenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine is sourced from PubChem (CID 146263296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).